SCHEMBL708404

SCHEMBL708404

COc1cc(C(=O)C(CCc2ccccc2)Cc2ccc(CC(=O)O)cc2)cc(OC)c1OC

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.74
KMT2A Q03164 2/20 0.49
LPAR2 Q9HBW0 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TUBB1 Q9H4B7 1/20 0.46
G6PD P11413 1/20 0.46
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SCN5A Q14524 1/20 0.44
SCN2A Q99250 1/20 0.44
MAPK1 P28482 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL708375 0.94 LPAR1 (0.84) LPAR1KMT2ALPAR2ALDH1A1KDM4E
SCHEMBL709334 0.85 LPAR1 (1.00) LPAR1LPAR2
SCHEMBL709759 0.84 LPAR1 (0.53) LPAR1KMT2AALDH1A1TUBB1G6PD
SCHEMBL709264 0.83 LPAR1 (0.61) LPAR1KMT2ALPAR2ALDH1A1TUBB1
SCHEMBL709015 0.81 LPAR1 (0.53) LPAR1KMT2AALDH1A1KDM4ETUBB1
SCHEMBL704803 0.78 LPAR1 (0.62) LPAR1KMT2ALMNAL3MBTL1HTT
SCHEMBL7124861 0.78 MAPK1 (0.50) LPAR1KMT2AALDH1A1KDM4ETUBB1
SCHEMBL7124865 0.78 MAPK1 (0.50) LPAR1KMT2AALDH1A1KDM4ETUBB1
SCHEMBL708137 0.77 LPAR1 (0.65) LPAR1LPAR2TUBB1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL7164363 0.77 HTT (0.50) LPAR1KMT2AALDH1A1KDM4ETUBB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553075-B1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2013-08-14 EP disclosed
EP-2565178-A1 LPA Receptor Antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2013-03-06 EP disclosed
US-20120088782-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-12 US disclosed
US-8124645-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2012-02-28 US disclosed
US-7820682-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-26 US disclosed
US-20100249157-A2 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-20080293764-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. 2008-11-27 US disclosed
US-20060148830-A1 Lpa receptor antagonist ONO PHARMACEUTICAL CO., LTD. 2006-07-06 US disclosed
EP-1553075-A1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080293764-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 LPAR1 1/4885KMT2A 933/4885LPAR2 2/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 LPAR1 1/4885KMT2A 933/4885LPAR2 2/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 LPAR1 1/4885KMT2A 933/4885LPAR2 2/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 LPAR1 1/4885KMT2A 933/4885LPAR2 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.